6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C11H18N2S — CID 2757339

IUPAC6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)(C)C1CCc2nc(N)sc2C1
InChIInChI=1S/C11H18N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
InChIKeyQXRJJJPFOHTPIG-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.88
Rot. Bonds

About 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 2757339) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID2757339
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCC(C)(C)C1CCc2nc(N)sc2C1
InChIInChI=1S/C11H18N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13)
InChIKeyQXRJJJPFOHTPIG-UHFFFAOYSA-N
XLogP2.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 2757339) is 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CC(C)(C)C1CCc2nc(N)sc2C1.
What is the InChIKey of 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is QXRJJJPFOHTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2757339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).